2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid

C187H249N19O22 — CID 159520384

IUPAC2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid
SMILESCC(=O)CN1CCC(N(C)CCCCc2ccc3c(n2)CCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.COc1ccc(C(C(=O)O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c(OC)c1.Cc1cc(C)cc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cc(C)cc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C29H39N3O4.C28H37N3O5.2C27H33N3O3.2C27H36N2O3.C22H35N3O/c1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;1-35-22-11-12-23(25(18-22)36-2)26(28(33)34)31-16-13-19(14-17-31)24(32)8-4-3-7-21-10-9-20-6-5-15-29-27(20)30-21;2*31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-19-15-20(2)17-22(16-19)26(27(30)31)29-13-12-24(18-29)32-14-6-5-8-23-11-10-21-7-3-4-9-25(21)28-23;1-18(26)17-25-15-12-21(13-16-25)24(2)14-6-5-8-20-11-10-19-7-3-4-9-22(19)23-20/h4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);9-12,18-19,26H,3-8,13-17H2,1-2H3,(H,29,30)(H,33,34);2*1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*10-11,15-17,24,26H,3-9,12-14,18H2,1-2H3,(H,30,31);10-11,21H,3-9,12-17H2,1-2H3/t27-;;2*25-;24-,26+;24-,26-;/m1.1011./s1
InChIKeyMBSMLDDIWDUGJG-BBBDFRCPSA-N
MW3115.16 g/mol
LogP29.22
Rot. Bonds60

About 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid

2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid (PubChem CID 159520384) has the molecular formula C187H249N19O22 and a molecular weight of 3115.16 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid
PubChem CID159520384
Molecular FormulaC187H249N19O22
Molecular Weight3115.16 g/mol
Exact Mass3112.89
IUPAC Name2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid
SMILESCC(=O)CN1CCC(N(C)CCCCc2ccc3c(n2)CCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.COc1ccc(C(C(=O)O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c(OC)c1.Cc1cc(C)cc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cc(C)cc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1
InChIInChI=1S/C29H39N3O4.C28H37N3O5.2C27H33N3O3.2C27H36N2O3.C22H35N3O/c1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;1-35-22-11-12-23(25(18-22)36-2)26(28(33)34)31-16-13-19(14-17-31)24(32)8-4-3-7-21-10-9-20-6-5-15-29-27(20)30-21;2*31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-19-15-20(2)17-22(16-19)26(27(30)31)29-13-12-24(18-29)32-14-6-5-8-23-11-10-21-7-3-4-9-25(21)28-23;1-18(26)17-25-15-12-21(13-16-25)24(2)14-6-5-8-20-11-10-19-7-3-4-9-22(19)23-20/h4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);9-12,18-19,26H,3-8,13-17H2,1-2H3,(H,29,30)(H,33,34);2*1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*10-11,15-17,24,26H,3-9,12-14,18H2,1-2H3,(H,30,31);10-11,21H,3-9,12-17H2,1-2H3/t27-;;2*25-;24-,26+;24-,26-;/m1.1011./s1
InChIKeyMBSMLDDIWDUGJG-BBBDFRCPSA-N
XLogP29.22
TPSA501.99 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds60
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003115.16
LogP ≤ 529.22
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid (CID 159520384) is 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid is CC(=O)CN1CCC(N(C)CCCCc2ccc3c(n2)CCCC3)CC1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CCC(C(=O)CCCCc2ccc3c(n2)NCCC3)CC1.COc1ccc(C(C(=O)O)N2CCC(C(=O)CCCCc3ccc4c(n3)NCCC4)CC2)c(OC)c1.Cc1cc(C)cc([C@@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.Cc1cc(C)cc([C@H](C(=O)O)N2CC[C@@H](OCCCCc3ccc4c(n3)CCCC4)C2)c1.O=C(O)[C@@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.O=C(O)[C@H](c1ccccc1)N1CC(C(=O)N2CCC(Cc3ccc4c(n3)CCCC4)CC2)C1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid?
The InChIKey is MBSMLDDIWDUGJG-BBBDFRCPSA-N. The full InChI is InChI=1S/C29H39N3O4.C28H37N3O5.2C27H33N3O3.2C27H36N2O3.C22H35N3O/c1-20(2)36-26-12-6-4-10-24(26)27(29(34)35)32-18-15-21(16-19-32)25(33)11-5-3-9-23-14-13-22-8-7-17-30-28(22)31-23;1-35-22-11-12-23(25(18-22)36-2)26(28(33)34)31-16-13-19(14-17-31)24(32)8-4-3-7-21-10-9-20-6-5-15-29-27(20)30-21;2*31-26(22-17-30(18-22)25(27(32)33)21-7-2-1-3-8-21)29-14-12-19(13-15-29)16-23-11-10-20-6-4-5-9-24(20)28-23;2*1-19-15-20(2)17-22(16-19)26(27(30)31)29-13-12-24(18-29)32-14-6-5-8-23-11-10-21-7-3-4-9-25(21)28-23;1-18(26)17-25-15-12-21(13-16-25)24(2)14-6-5-8-20-11-10-19-7-3-4-9-22(19)23-20/h4,6,10,12-14,20-21,27H,3,5,7-9,11,15-19H2,1-2H3,(H,30,31)(H,34,35);9-12,18-19,26H,3-8,13-17H2,1-2H3,(H,29,30)(H,33,34);2*1-3,7-8,10-11,19,22,25H,4-6,9,12-18H2,(H,32,33);2*10-11,15-17,24,26H,3-9,12-14,18H2,1-2H3,(H,30,31);10-11,21H,3-9,12-17H2,1-2H3/t27-;;2*25-;24-,26+;24-,26-;/m1.1011./s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid?
2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid has a molecular weight of 3115.16 g/mol, XLogP of 29.22, 60 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid;(2R)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;(2S)-2-(3,5-dimethylphenyl)-2-[(3R)-3-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butoxy]pyrrolidin-1-yl]acetic acid;1-[4-[methyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]piperidin-1-yl]propan-2-one;(2S)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-phenyl-2-[3-[4-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)piperidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[4-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 159520384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).